[(1S)-2-oxocyclohexyl] 2-(4-oxoquinazolin-3-yl)acetate

C16H16N2O4 — CID 7995390

IUPAC[(1S)-2-oxocyclohexyl] 2-(4-oxoquinazolin-3-yl)acetate
SMILESO=C(Cn1cnc2ccccc2c1=O)O[C@H]1CCCCC1=O
InChIInChI=1S/C16H16N2O4/c19-13-7-3-4-8-14(13)22-15(20)9-18-10-17-12-6-2-1-5-11(12)16(18)21/h1-2,5-6,10,14H,3-4,7-9H2/t14-/m0/s1
InChIKeyOQHBAILHYGKBLF-AWEZNQCLSA-N
MW300.31 g/mol
LogP1.45
Rot. Bonds3

About [(1S)-2-oxocyclohexyl] 2-(4-oxoquinazolin-3-yl)acetate

[(1S)-2-oxocyclohexyl] 2-(4-oxoquinazolin-3-yl)acetate (PubChem CID 7995390) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is [(1S)-2-oxocyclohexyl] 2-(4-oxoquinazolin-3-yl)acetate.

Molecular Properties

Compound Name[(1S)-2-oxocyclohexyl] 2-(4-oxoquinazolin-3-yl)acetate
PubChem CID7995390
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name[(1S)-2-oxocyclohexyl] 2-(4-oxoquinazolin-3-yl)acetate
SMILESO=C(Cn1cnc2ccccc2c1=O)O[C@H]1CCCCC1=O
InChIInChI=1S/C16H16N2O4/c19-13-7-3-4-8-14(13)22-15(20)9-18-10-17-12-6-2-1-5-11(12)16(18)21/h1-2,5-6,10,14H,3-4,7-9H2/t14-/m0/s1
InChIKeyOQHBAILHYGKBLF-AWEZNQCLSA-N
XLogP1.45
TPSA78.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(1R)-2-oxocyclohexyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 7995387
[(3R)-2-oxooxolan-3-yl] 2-(4-oxoquinazolin-3-yl)acetate
CID 7995381
[(3S)-2-oxooxolan-3-yl] 2-(4-oxoquinazolin-3-yl)acetate
CID 40624414
N-cycloheptyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 4815745
3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazolin-4-one
CID 4908291
[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 46792790
N-(2-methylcyclohexyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 2999724
3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 7874856
N'-[2-(4-oxoquinazolin-3-yl)acetyl]cyclopropanecarbohydrazide
CID 26799065
[(1R,2R)-2-methoxycyclopentyl] 3-(4-oxoquinazolin-3-yl)propanoate
CID 96523727
N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 71897909
N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 110164098

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-oxocyclohexyl] 2-(4-oxoquinazolin-3-yl)acetate?
The IUPAC name of [(1S)-2-oxocyclohexyl] 2-(4-oxoquinazolin-3-yl)acetate (CID 7995390) is [(1S)-2-oxocyclohexyl] 2-(4-oxoquinazolin-3-yl)acetate.
What is the SMILES notation for [(1S)-2-oxocyclohexyl] 2-(4-oxoquinazolin-3-yl)acetate?
The canonical SMILES for [(1S)-2-oxocyclohexyl] 2-(4-oxoquinazolin-3-yl)acetate is O=C(Cn1cnc2ccccc2c1=O)O[C@H]1CCCCC1=O.
What is the InChIKey of [(1S)-2-oxocyclohexyl] 2-(4-oxoquinazolin-3-yl)acetate?
The InChIKey is OQHBAILHYGKBLF-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H16N2O4/c19-13-7-3-4-8-14(13)22-15(20)9-18-10-17-12-6-2-1-5-11(12)16(18)21/h1-2,5-6,10,14H,3-4,7-9H2/t14-/m0/s1.
What are the key properties of [(1S)-2-oxocyclohexyl] 2-(4-oxoquinazolin-3-yl)acetate?
[(1S)-2-oxocyclohexyl] 2-(4-oxoquinazolin-3-yl)acetate has a molecular weight of 300.31 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-oxocyclohexyl] 2-(4-oxoquinazolin-3-yl)acetate is sourced from PubChem (CID 7995390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).